SCHEMBL13630830

SCHEMBL13630830

CCCN(C(=O)CC1(C(=O)NC)CCC1)C1CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.32
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5986943 0.83 PTGS1 (0.31) PYGLPTGS1PTGS2
SCHEMBL13434126 0.82 PTGS1 (0.31) PYGLPTGS1PTGS2
SCHEMBL5986926 0.78 CYP2C19 (0.34) PYGLPTGS1PTGS2
SCHEMBL13434157 0.70 PKM (0.35) PYGLPTGS1PTGS2
SCHEMBL5986638 0.70 PTGS1 (0.36) PTGS1PTGS2
SCHEMBL18576497 0.69 OPRM1 (0.43) PYGLPTGS1PTGS2
SCHEMBL28185605 0.68 SLC6A4 (0.35) PYGLPTGS1PTGS2
SCHEMBL7606420 0.68 PIK3CD (0.34) PTGS1PTGS2
SCHEMBL12527553 0.68 CETP (0.42)
SCHEMBL5987055 0.67 PIK3CD (0.34) PTGS1PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed